(2R)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-3,3-dimethylbutanamide

C15H19ClN4O — CID 103929017

IUPAC(2R)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)Nc1cccc(Cl)c1-n1cccn1
InChIInChI=1S/C15H19ClN4O/c1-15(2,3)13(17)14(21)19-11-7-4-6-10(16)12(11)20-9-5-8-18-20/h4-9,13H,17H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyYPEVNHMHUGUPKR-ZDUSSCGKSA-N
MW306.80 g/mol
LogP2.84
Rot. Bonds3

About (2R)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-3,3-dimethylbutanamide

(2R)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-3,3-dimethylbutanamide (PubChem CID 103929017) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is (2R)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-3,3-dimethylbutanamide
PubChem CID103929017
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name(2R)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)Nc1cccc(Cl)c1-n1cccn1
InChIInChI=1S/C15H19ClN4O/c1-15(2,3)13(17)14(21)19-11-7-4-6-10(16)12(11)20-9-5-8-18-20/h4-9,13H,17H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyYPEVNHMHUGUPKR-ZDUSSCGKSA-N
XLogP2.84
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-3,3-dimethylbutanamide
CID 61155642
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(2S)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-4-methylsulfanylbutanamide
CID 61179964
3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)butanamide
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5-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methylpentanamide
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2-amino-N-(3-chloro-2-methylphenyl)-3,3-dimethylbutanamide
CID 76892391
(2S)-2-amino-3,3-dimethyl-N-(4-pyrazol-1-ylphenyl)butanamide
CID 61177988
N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide
CID 47251954
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CID 61325153
N-(3-chloro-2-pyrazol-1-ylphenyl)-6-methylpyridine-2-carboxamide
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1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(2-hydroxypentyl)urea
CID 111473882

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-3,3-dimethylbutanamide (CID 103929017) is (2R)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-3,3-dimethylbutanamide is CC(C)(C)[C@@H](N)C(=O)Nc1cccc(Cl)c1-n1cccn1.
What is the InChIKey of (2R)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-3,3-dimethylbutanamide?
The InChIKey is YPEVNHMHUGUPKR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-15(2,3)13(17)14(21)19-11-7-4-6-10(16)12(11)20-9-5-8-18-20/h4-9,13H,17H2,1-3H3,(H,19,21)/t13-/m0/s1.
What are the key properties of (2R)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-3,3-dimethylbutanamide?
(2R)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-3,3-dimethylbutanamide has a molecular weight of 306.80 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 103929017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).